2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one

C17H11N3O — CID 10038941

IUPAC2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
InChIKeyUVUYDEPVVFJIAY-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.94
Rot. Bonds1

About 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 10038941) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID10038941
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Name2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
InChIKeyUVUYDEPVVFJIAY-UHFFFAOYSA-N
XLogP2.94
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 10038941) is 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is UVUYDEPVVFJIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20).
What are the key properties of 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 273.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 10038941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).